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methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 72207782

In stock

Item Number

M173843

Grouped product items
SKU	Size	Availability	Price	Qty
M173843-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90

Basic Description

Synonyms	1392803-31-4 \| methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylate \| Methyl 3-hydroxy-3-(trifluoromethyl)-cyclobutanecarboxylate \| Methyl 3-hydroxy-3-(trifluoromethyl)cyclobutanecarboxylate \| 2411591-41-6 \| MFCD23106188 \| methyl cis-3-hydroxy-3-(trifluorome
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Tertiary alcohols Methyl esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Fatty acid ester - Methyl ester - Tertiary alcohol - Cyclobutanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
INCHI	InChI=1S/C7H9F3O3/c1-13-5(11)4-2-6(12,3-4)7(8,9)10/h4,12H,2-3H2,1H3
InChIKey	MHVAMXOAFNRYMI-UHFFFAOYSA-N
Smiles	COC(=O)C1CC(C1)(C(F)(F)F)O

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.140 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	198.05 Da
Monoisotopic Mass	198.05 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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